Dear Lesheng Li There used to be a simpler turnaround which, if I remember well, you can use with your present 5.0.2 instalation: as long as your first run exits "softly", if you set disk_io='high', you should be able to restart properly an EXX calculation. If you are submitting through a queue system, set a proper max_seconds value (i.e., quite lower than the queue walltime limit, because you still have to finish the scf step and save all data). HTH Giuseppe
Giuseppe Mattioli ISM-CNR Italy Quoting Lesheng Li <leshengl at live.unc.edu>: > Hi Paolo, > > Thanks for your comment on this. From your point of view, do you > think I can use the other version available now (older version than > 5.0.2) to do this calculation? Or I have to wait until the new > version is released... > > Thanks, > Lesheng Li > > Ph.D student in Chemistry > University of North Carolina at Chapel Hill > United States > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -- ******************************************************** - Article premier - Les hommes naissent et demeurent libres et ?gaux en droits. Les distinctions sociales ne peuvent ?tre fond?es que sur l'utilit? commune - Article 2 - Le but de toute association politique est la conservation des droits naturels et imprescriptibles de l'homme. Ces droits sont la libert?, la propri?t?, la s?ret? et la r?sistance ? l'oppression. ******************************************************** Giuseppe Mattioli CNR - ISTITUTO DI STRUTTURA DELLA MATERIA v. Salaria Km 29,300 - C.P. 10 I 00015 - Monterotondo Stazione (RM) Tel + 39 06 90672836 - Fax +39 06 90672316 E-mail: <giuseppe.mattioli at ism.cnr.it>
